Compound Identification
SMILES
CCCCN1CC(N(CC1=O)S(=O)(=O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=XUNCIGRVVBGNJX-UHFFFAOYSA-N
Formula
C21H23BrN2O5S
Mass
495.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Brominated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Brominated biphenyls
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonamides Piperazine carboxylic acids Benzenesulfonyl compounds N-alkylpiperazines Bromobenzenes Organosulfonamides Aryl bromides Tertiary carboxylic acid amides Sulfonyls Lactams Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Brominated biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Piperazine-2-carboxylic acid - Bromobenzene - N-alkylpiperazine - Halobenzene - Aryl bromide - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
External Descriptors
Not available